REMARK  Name = BDB053197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.604  -1.360  -0.556  0.00  0.00    +0.187 A 
ATOM      2  N   LIG    1       -1.589  -2.302  -0.355  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -2.233  -3.544  -0.332  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -3.590  -3.259  -0.394  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -4.529  -4.301  -0.349  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -4.074  -5.619  -0.247  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.709  -5.894  -0.187  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.761  -4.864  -0.224  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -3.804  -1.919  -0.501  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -2.449   0.047  -0.887  0.00  0.00    +0.228 C 
ATOM     11  O   LIG    1       -1.548   0.473  -1.611  0.00  0.00    -0.283 OA
BRANCH  10  16
ATOM     12  C   LIG    1       -6.148   4.066   1.115  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -5.221   3.010   0.589  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -5.123   1.770   1.230  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.239   0.793   0.760  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -3.435   1.044  -0.359  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -3.517   2.297  -0.984  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -4.401   3.272  -0.513  0.00  0.00    +0.004 A 
ENDBRANCH  10  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1       -0.207  -2.139  -0.156  0.00  0.00    +0.094 C 
ATOM     20  C   LIG    1        0.488  -1.009   0.047  0.00  0.00    +0.026 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.944  -1.001   0.243  0.00  0.00    -0.020 A 
ATOM     22  C   LIG    1        2.721  -0.100  -0.495  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        4.102  -0.035  -0.300  0.00  0.00    +0.123 A 
ATOM     24  C   LIG    1        4.726  -0.903   0.590  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        3.959  -1.796   1.338  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        2.572  -1.837   1.174  0.00  0.00    +0.008 A 
BRANCH  23  27
ATOM     27  O   LIG    1        4.816   0.833  -1.077  0.00  0.00    -0.475 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.293   2.029  -0.427  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1        5.632   2.979  -1.590  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1        4.227   2.708   0.451  0.00  0.00    +0.067 C 
BRANCH  28  31
ATOM     31  C   LIG    1        6.613   1.819   0.340  0.00  0.00    +0.348 C 
ATOM     32  O   LIG    1        7.397   0.888   0.228  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1        6.924   2.834   1.178  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1        7.789   2.566   1.555  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH   2  19
TORSDOF 8